Geometry & MOs

Info

ID:	185345
PubChem CID:	77288112
Reduced:	N2O3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-154.76
Dipole, Da:	3.72
IP(EA), eV:	-9.03(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[4-[4-carbamoyl-5-(carbamoylamino)thiophen-2-yl]phenyl]-2-cyclopentylpent-4-enoic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C1CCNCC1COC)C(=O)O

DOS

IR

Vibrations