Geometry & MOs

Info

ID:	351066
PubChem CID:	127279503
Reduced:	SN4O5C17H22 (1)
Stoich.:	AB4C5D17E22 (1)
Weight, g/mol:	366.172562
ΔH_f, kcal/mol:	-111.28
Dipole, Da:	7.06
IP(EA), eV:	-8.52(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclopropylmethyl)-3-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]urea

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)NC2=C(C=CC(=C2)S(=O)(=O)N3CCN(CC3)C)OC

DOS

IR

Vibrations