Geometry & MOs

Info

ID:	55434
PubChem CID:	17395394
Reduced:	SN3O3C17H21 (1)
Stoich.:	AB3C3D17E21 (1)
Weight, g/mol:	337.200156
ΔH_f, kcal/mol:	-91.32
Dipole, Da:	4.8
IP(EA), eV:	-9.11(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 5-[[2-(tert-butylamino)-2-oxoethyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)C1=CSC(=N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations