Geometry & MOs

Info

ID:

181943

PubChem CID:

76817098

Reduced:

SO8N9C57H87 (1)

Stoich.:

AB8C9D57E87 (1)

Weight, g/mol:

495.273321

ΔHf, kcal/mol:

-379.66

Dipole, Da:

9.95

IP(EA), eV:

 -8.53(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[3-(4,5-diethyl-6-oxo-1,3-diazinan-2-yl)-4-propoxybenzoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCC(C)C(CC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)CC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CCCCN)CC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)CC(=O)C(C)C)C(=O)N

DOS

IR

Vibrations