Geometry & MOs

Info

ID:	218783
PubChem CID:	85089966
Reduced:	SN4O5C25H41 (1)
Stoich.:	AB4C5D25E41 (1)
Weight, g/mol:	508.250812
ΔH_f, kcal/mol:	-219.57
Dipole, Da:	7.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.786555
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(aminomethyl)phenyl]-N-cyclopentyl-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-N-methylpropanamide

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CC(=O)NCCC4CC[N+](CC4)(C)C)C(=O)O)C(C)O

DOS

IR

Vibrations