Geometry & MOs

Info

ID:	159356
PubChem CID:	57269673
Reduced:	O2S3N4C23H30 (1)
Stoich.:	A2B3C4D23E30 (1)
Weight, g/mol:	305.147452
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	4.52
IP(EA), eV:	-8.52(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-carboxy-2-hydroxyethyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(C)N1CCN(CC1)C=C2C(=O)N(SN(C2=O)CCC3=CC=CS3)CCC4=CC=CS4

DOS

IR

Vibrations