Geometry & MOs

Info

ID:	157804
PubChem CID:	56437358
Reduced:	SN4O4C20H28 (1)
Stoich.:	AB4C4D20E28 (1)
Weight, g/mol:	350.220557
ΔH_f, kcal/mol:	-113.34
Dipole, Da:	10.17
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCCC3=NC(=NO3)C)C

DOS

IR

Vibrations