Geometry & MOs

Info

ID:	44515
PubChem CID:	10503864
Reduced:	N3O5C25H31 (1)
Stoich.:	A3B5C25D31 (1)
Weight, g/mol:	453.160994
ΔH_f, kcal/mol:	-177.41
Dipole, Da:	2.66
IP(EA), eV:	-8.49(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[(4-methoxyphenyl)sulfonylamino]-phenylmethyl]phenyl]butanoate

Drug info:

PubChemData

Smile

CC(C)C[C@H](CC(=O)OC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NCC3=CC=CO3

DOS

IR

Vibrations