Geometry & MOs

Info

ID:	16174
PubChem CID:	460957
Reduced:	N3O5C30H37 (1)
Stoich.:	A3B5C30D37 (1)
Weight, g/mol:	519.273321
ΔH_f, kcal/mol:	-191.13
Dipole, Da:	5.68
IP(EA), eV:	-9.2(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,4S,5S)-5-[(4-amino-3-hydroxybenzoyl)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=CC(=C(C=C3)N)O)O

DOS

IR

Vibrations