Geometry & MOs

Info

ID:	393087
PubChem CID:	135019318
Reduced:	NO5C17H27 (1)
Stoich.:	AB5C17D27 (1)
Weight, g/mol:	378.99901
ΔH_f, kcal/mol:	-197.69
Dipole, Da:	7.05
IP(EA), eV:	-8.72(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-3-[(4-methoxybenzoyl)amino]thiourea

Drug info:

PubChemData

Smile

CC1(COC(OC1)[C@]23CN(C[C@H]2C=CC(=O)C3(OC)OC)C)C

DOS

IR

Vibrations