Geometry & MOs

Info

ID:	339894
PubChem CID:	127261903
Reduced:	N3O5C16H23 (1)
Stoich.:	A3B5C16D23 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-179.96
Dipole, Da:	3.55
IP(EA), eV:	-9.7(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N)N(C(=O)CNC(=O)OCC1=CC=CC=C1)O

DOS

IR

Vibrations