Geometry & MOs

Info

ID:	149678
PubChem CID:	53789352
Reduced:	SN5O6C47H49 (1)
Stoich.:	AB5C6D47E49 (1)
Weight, g/mol:	404.148455
ΔH_f, kcal/mol:	-140.09
Dipole, Da:	1.36
IP(EA), eV:	-8.9(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[3-(N'-hydroxycarbamimidoyl)benzoyl]amino]-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=S)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations