Geometry & MOs

Info

ID:	195043
PubChem CID:	78626524
Reduced:	SN4O4C18H18 (1)
Stoich.:	AB4C4D18E18 (1)
Weight, g/mol:	410.086033
ΔH_f, kcal/mol:	12.52
Dipole, Da:	3.39
IP(EA), eV:	-8.61(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-3-(2-nitrophenyl)thiourea

Drug info:

PubChemData

Smile

CC(=NNC(=S)NC1=CC=CC=C1[N+](=O)[O-])C2=CC3=C(C=C2)OCCCO3

DOS

IR

Vibrations