Geometry & MOs

Info

ID:	297436
PubChem CID:	117617440
Reduced:	PN4O13C20H27 (1)
Stoich.:	AB4C13D20E27 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-596.58
Dipole, Da:	6.0
IP(EA), eV:	-9.62(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[4-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-2H-pyrrol-5-yl]phenyl]propane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OC3C(OC(C3OC)N4C=CC(=O)NC4=O)CO)O

DOS

IR

Vibrations