Geometry & MOs

Info

ID:	9887
PubChem CID:	94484
Reduced:	N2O5H16C17 (1)
Stoich.:	A2B5C16D17 (1)
Weight, g/mol:	328.105922
ΔH_f, kcal/mol:	-172.88
Dipole, Da:	9.81
IP(EA), eV:	-9.36(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[acetyl-[(4-hydroxyphenyl)methyl]carbamoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)N(CC1=CC=C(C=C1)O)C(=O)NC2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations