Geometry & MOs

Info

ID:	402177
PubChem CID:	135054731
Reduced:	SN4O6C23H29 (1)
Stoich.:	AB4C6D23E29 (1)
Weight, g/mol:	521.269496
ΔH_f, kcal/mol:	-75.39
Dipole, Da:	5.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754929
Charge, e:	0

Chem-info

IUPAC name:

butyl (3S)-3-[bis(3,5-dimethylphenyl)phosphorylamino]-3-(4-methoxyphenyl)butanoate

Drug info:

PubChemData

Smile

COC(=O)[C@@H](C[N+]12CCN(CC1)CC2)[C@@H](C3=CC=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations