Geometry & MOs

Info

ID:	168611
PubChem CID:	74994464
Reduced:	N3O27C82H89 (1)
Stoich.:	A3B27C82D89 (1)
Weight, g/mol:	190.082781
ΔH_f, kcal/mol:	-999.65
Dipole, Da:	9.2
IP(EA), eV:	-8.65(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(4-amino-2,4-dicarboxypyrrolidin-1-yl)azanium

Drug info:

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)C)O)NC(=O)CCCC(=O)NCCC(=O)OC6CC7C(CO7)(C8C6(C(=O)C(C9=C(C(CC(C8OC(=O)C1=CC=CC=C1)(C9(C)C)O)OC(=O)C(C(C1=CC=CC=C1)NC(=O)C1=CC=CC=C1)O)C)OC(=O)C)C)OC(=O)C)O

DOS

IR

Vibrations