Geometry & MOs

Info

ID:

168541

PubChem CID:

74984848

Reduced:

SO30N35C102H177 (1)

Stoich.:

AB30C35D102E177 (1)

Weight, g/mol:

546.295454

ΔHf, kcal/mol:

-1404.98

Dipole, Da:

24.1

IP(EA), eV:

 -8.6(-0.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3,3-diphenylpropanoyl)-N-[[1-(N'-hydroxycarbamimidoyl)piperidin-4-yl]methyl]-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CCSC)C(=O)O)NC(=O)CNC(=O)C(C)NC(=O)C(C)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C(C)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CCC(=O)N)NC(=O)C(CC(C)C)NC(=O)CN

DOS

IR

Vibrations