Geometry & MOs

Info

ID:	243700
PubChem CID:	99234096
Reduced:	N3O4C24H37 (1)
Stoich.:	A3B4C24D37 (1)
Weight, g/mol:	431.278407
ΔH_f, kcal/mol:	-213.79
Dipole, Da:	3.26
IP(EA), eV:	-9.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3S)-1-[(2S)-3-methyl-2-[(3-methylbenzoyl)amino]butanoyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@@H](C2)CNC(=O)OC(C)(C)C

DOS

IR

Vibrations