Geometry & MOs

Info

ID:	339969
PubChem CID:	127261978
Reduced:	N4O5C18H20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	434.195405
ΔH_f, kcal/mol:	-90.35
Dipole, Da:	5.57
IP(EA), eV:	-9.91(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]-(4-oxooxolan-3-yl)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)[C@H](CO)N

DOS

IR

Vibrations