Geometry & MOs

Info

ID:	148279
PubChem CID:	53787941
Reduced:	SN2O3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	411.147058
ΔH_f, kcal/mol:	-123.98
Dipole, Da:	6.15
IP(EA), eV:	-8.71(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(benzhydrylcarbamoyl)-1-hydroxynaphthalen-2-yl]acetic acid

Drug info:

PubChemData

Smile

COC(=O)CCCC[C@@H]1[C@@H]2[C@H](CS1)NC(=O)N2CC3=CC=CC=C3

DOS

IR

Vibrations