Geometry & MOs

Info

ID:	178755
PubChem CID:	76377448
Reduced:	PN2O8C28H46 (1)
Stoich.:	AB2C8D28E46 (1)
Weight, g/mol:	391.209378
ΔH_f, kcal/mol:	-392.83
Dipole, Da:	6.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753588
Charge, e:	1

Chem-info

IUPAC name:

1-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3,3-dimethyl-1-(5-oxopyrrolidine-2-carbonyl)pyrrolidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCP(=O)(O)OC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)[N+]2(CCCC2C)C(=O)O

DOS

IR

Vibrations