Geometry & MOs

Info

ID:	16178
PubChem CID:	460975
Reduced:	N3O5C34H37 (1)
Stoich.:	A3B5C34D37 (1)
Weight, g/mol:	567.273321
ΔH_f, kcal/mol:	-142.13
Dipole, Da:	4.68
IP(EA), eV:	-8.49(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(2S,3S,5S)-5-[(4-amino-3-methoxybenzoyl)amino]-3-hydroxy-1,6-diphenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O)N

DOS

IR

Vibrations