Geometry & MOs

Info

ID:	339962
PubChem CID:	127261971
Reduced:	N3O4C19H21 (1)
Stoich.:	A3B4C19D21 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-122.65
Dipole, Da:	7.07
IP(EA), eV:	-9.34(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(3R)-7-amino-2-oxoheptan-3-yl]-[(2S)-2-aminopropanoyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N(C1=CC=C(C=C1)C(=O)O)[C@@H](CC2=CC=CC=C2)C(=O)N)N

DOS

IR

Vibrations