Geometry & MOs

Info

ID:	310509
PubChem CID:	126581288
Reduced:	NO3C12H23 (1)
Stoich.:	AB3C12D23 (1)
Weight, g/mol:	439.247107
ΔH_f, kcal/mol:	-170.87
Dipole, Da:	2.22
IP(EA), eV:	-9.01(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(2R)-2-[(3,5-dimethylbenzoyl)amino]-3-phenylpropanoyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(=O)C(CCC(=O)O)NC(C)(C)C

DOS

IR

Vibrations