Geometry & MOs

Info

ID:	16176
PubChem CID:	460965
Reduced:	ClN3O4C30H36 (1)
Stoich.:	AB3C4D30E36 (1)
Weight, g/mol:	537.239434
ΔH_f, kcal/mol:	-163.83
Dipole, Da:	3.58
IP(EA), eV:	-8.95(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,4S,5S)-5-[(4-amino-2-chlorobenzoyl)amino]-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C[C@@H]([C@H](CC2=CC=CC=C2)NC(=O)C3=C(C=C(C=C3)N)Cl)O

DOS

IR

Vibrations