Geometry & MOs

Info

ID:	220142
PubChem CID:	85165290
Reduced:	ClS4O6N8C22H23 (1)
Stoich.:	AB4C6D8E22F23 (1)
Weight, g/mol:	659.236661
ΔH_f, kcal/mol:	-89.86
Dipole, Da:	3.87
IP(EA), eV:	-8.94(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3,5-dimethoxybenzoyl)amino]-3-(3,5-dimethoxybenzoyl)oxy-3-phenylpropyl] 3,5-dimethoxybenzoate

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=C(SC(=N3)N)Cl)C(=O)O)SC4=C(C=NC=C4)CSCCNC(=O)CN

DOS

IR

Vibrations