Geometry & MOs

Info

ID:	151516
PubChem CID:	53837749
Reduced:	ClNSO4C28H34 (1)
Stoich.:	ABCD4E28F34 (1)
Weight, g/mol:	287.078517
ΔH_f, kcal/mol:	-105.85
Dipole, Da:	5.21
IP(EA), eV:	-8.93(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCCC1=C(C=CC2=C1ON=C2CC(C)(C)C)OCCCSC3=C(C=C(C=C3)C4(CC4)C(=O)O)Cl

DOS

IR

Vibrations