Geometry & MOs

Info

ID:	185309
PubChem CID:	77284715
Reduced:	O2N4C21H29 (2)
Stoich.:	A2B4C21D29 (2)
Weight, g/mol:	382.1021
ΔH_f, kcal/mol:	-135.29
Dipole, Da:	1.83
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylsulfonylmethyl)-2-tert-butylpyrrolidine-1-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NCCCCCCCCCCNC(=O)C(C(C)CC)NC(=O)C1=CC=C(C=C1)C2=CN=CN2)NC(=O)C3=CC=C(C=C3)C4=CN=CN4

DOS

IR

Vibrations