Geometry & MOs

Info

ID:

438551

PubChem CID:

135228294

Reduced:

S3N13O13C42H73 (1)

Stoich.:

A3B13C13D42E73 (1)

Weight, g/mol:

418.269239

ΔHf, kcal/mol:

-641.75

Dipole, Da:

6.62

IP(EA), eV:

 -8.9(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(diaminomethylideneamino)-2-[5-(3-phenylpropanoylamino)pentanoylamino]hexanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(CCCCN=C(N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CSCCC(=O)N1CN(CN(C1)C(=O)CCSCC(C(=O)N)NC(=O)CC(C)O)C(=O)CCSCCC(=O)N)C(=O)N

DOS

IR

Vibrations