Geometry & MOs

Info

ID:	134845
PubChem CID:	51767504
Reduced:	N3O5C30H41 (1)
Stoich.:	A3B5C30D41 (1)
Weight, g/mol:	467.242021
ΔH_f, kcal/mol:	-214.82
Dipole, Da:	3.95
IP(EA), eV:	-8.97(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[[(1R)-2-(butylamino)-1-(4-hydroxyphenyl)-2-oxoethyl]-methylcarbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)CC(C)(C)NC(=O)[C@H](C1=CC=C(C=C1)O)N(C)C(=O)[C@H]2CCCN2C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations