Geometry & MOs

Info

ID:	187984
PubChem CID:	77650231
Reduced:	N5O6C25H25 (1)
Stoich.:	A5B6C25D25 (1)
Weight, g/mol:	414.251858
ΔH_f, kcal/mol:	-139.95
Dipole, Da:	9.83
IP(EA), eV:	-9.29(-2.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-hydroxy-4-[2-(4-methoxyphenyl)ethylamino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N(C(CC1=CC=CC=C1)C(=O)NC2=CC=CC(=C2)C3=NC(=O)C(=O)C(=N3)C(=O)N)C(=O)O

DOS

IR

Vibrations