Geometry & MOs

Info

ID:	420871
PubChem CID:	135114952
Reduced:	N6O8C33H48 (1)
Stoich.:	A6B8C33D48 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-361.22
Dipole, Da:	8.12
IP(EA), eV:	-9.22(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-(1H-imidazol-2-ylmethyl)-3-methyl-3-phenylbutanamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N2C[C@@H](C[C@H]2C(=O)NCCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC3=CC=CC=C3)NC(=O)[C@H]4CCCO4)O

DOS

IR

Vibrations