Geometry & MOs

Info

ID:	1271
PubChem CID:	4074
Reduced:	SN3O6C17H27 (1)
Stoich.:	AB3C6D17E27 (1)
Weight, g/mol:	401.162057
ΔH_f, kcal/mol:	-257.9
Dipole, Da:	5.37
IP(EA), eV:	-9.16(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-carboxy-2-hydroxypropyl)-4-[5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(NC2)C(=O)N(C)C

DOS

IR

Vibrations