Geometry & MOs

Info

ID:	121820
PubChem CID:	50782633
Reduced:	FN4O4C21H25 (1)
Stoich.:	AB4C4D21E25 (1)
Weight, g/mol:	461.206304
ΔH_f, kcal/mol:	-166.39
Dipole, Da:	6.18
IP(EA), eV:	-8.41(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(4-methoxyphenyl)acetyl]amino]-5-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)benzoic acid

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)CN(C)C1=CC(=C(C=C1)NC(=O)C2=CC=CC=C2F)C(=O)O

DOS

IR

Vibrations