Geometry & MOs

Info

ID:	11360
PubChem CID:	114631
Reduced:	N2O5C23H28 (1)
Stoich.:	A2B5C23D28 (1)
Weight, g/mol:	412.199822
ΔH_f, kcal/mol:	-194.04
Dipole, Da:	5.15
IP(EA), eV:	-9.76(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations