Geometry & MOs

Info

ID:	178185
PubChem CID:	76291083
Reduced:	SN4O4C23H30 (1)
Stoich.:	AB4C4D23E30 (1)
Weight, g/mol:	487.315855
ΔH_f, kcal/mol:	-144.95
Dipole, Da:	5.61
IP(EA), eV:	-9.15(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-[[2-cyano-3-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]prop-2-enoyl]amino]propyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1CC(=O)NC(N1)C2=CC(=CC=C2)NC(=O)CCNS(=O)(=O)C3=CC(=C(C=C3)C)C

DOS

IR

Vibrations