Geometry & MOs

Info

ID:	57409
PubChem CID:	22395852
Reduced:	SN2O5C24H24 (1)
Stoich.:	AB2C5D24E24 (1)
Weight, g/mol:	534.178435
ΔH_f, kcal/mol:	-148.71
Dipole, Da:	12.29
IP(EA), eV:	-8.66(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(carbamoylamino)-2-[[2-(3,4-dimethoxyphenyl)sulfonyl-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

C1CC(N(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)NC(CC3=CC4=CC=CC=C4C=C3)C(=O)O

DOS

IR

Vibrations