Geometry & MOs

Info

ID:	16173
PubChem CID:	460953
Reduced:	N2O5C30H36 (1)
Stoich.:	A2B5C30D36 (1)
Weight, g/mol:	504.262422
ΔH_f, kcal/mol:	-197.74
Dipole, Da:	4.19
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S,4S,5S)-4-hydroxy-5-[(4-hydroxybenzoyl)amino]-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)O)O

DOS

IR

Vibrations