Geometry & MOs

Info

ID:	219970
PubChem CID:	85165098
Reduced:	N4O9C32H40 (1)
Stoich.:	A4B9C32D40 (1)
Weight, g/mol:	624.181138
ΔH_f, kcal/mol:	-360.53
Dipole, Da:	7.21
IP(EA), eV:	-8.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(3,4-dimethoxybenzoyl)amino]-3-[[2-[(3,4-dimethoxybenzoyl)amino]-3-ethoxy-3-oxopropyl]disulfanyl]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)COC1=CC=CC(=C1)NC(=O)CCNC(=O)C(CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)C(=O)OC

DOS

IR

Vibrations