Geometry & MOs

Info

ID:	302202
PubChem CID:	124360339
Reduced:	N2O5C20H28 (1)
Stoich.:	A2B5C20D28 (1)
Weight, g/mol:	376.199822
ΔH_f, kcal/mol:	-237.24
Dipole, Da:	4.85
IP(EA), eV:	-9.67(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-methyl-2-[[(3R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

DOS

IR

Vibrations