Geometry & MOs

Info

ID:	395841
PubChem CID:	135026679
Reduced:	N3O4C23H23 (1)
Stoich.:	A3B4C23D23 (1)
Weight, g/mol:	390.194343
ΔH_f, kcal/mol:	-30.4
Dipole, Da:	11.05
IP(EA), eV:	-9.01(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(3S)-3-(4-methoxyanilino)-3-phenylpropyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCC[C@@H](C2=CC=CC=C2)NC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations