Geometry & MOs

Info

ID:	84138
PubChem CID:	49864494
Reduced:	N2O3C10H20 (1)
Stoich.:	A2B3C10D20 (1)
Weight, g/mol:	559.073547
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	5.41
IP(EA), eV:	-9.68(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[5,7-dichloro-2-(3-methylbenzoyl)-3,4-dihydro-1H-isoquinoline-6-carbonyl]amino]-3-(thiophene-2-carbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)CCCN

DOS

IR

Vibrations