Geometry & MOs

Info

ID:	339959
PubChem CID:	127261968
Reduced:	N5O5C19H21 (1)
Stoich.:	A5B5C19D21 (1)
Weight, g/mol:	362.231791
ΔH_f, kcal/mol:	-86.78
Dipole, Da:	8.29
IP(EA), eV:	-9.8(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)N)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CNC(=O)CN

DOS

IR

Vibrations