Geometry & MOs

Info

ID:	58030
PubChem CID:	24423606
Reduced:	SN2C10H13 (2)
Stoich.:	AB2C10D13 (2)
Weight, g/mol:	420.067445
ΔH_f, kcal/mol:	39.37
Dipole, Da:	9.34
IP(EA), eV:	-8.31(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-nitrophenyl)-3-[2-[(4-nitrophenyl)carbamothioylamino]ethyl]thiourea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=S)NCCNC(=S)NC2=C(C=C(C=C2)C)C)C

DOS

IR

Vibrations