Geometry & MOs

Info

ID:	139655
PubChem CID:	52575140
Reduced:	O2S2N6H18C19 (1)
Stoich.:	A2B2C6D18E19 (1)
Weight, g/mol:	374.09938
ΔH_f, kcal/mol:	7.71
Dipole, Da:	7.43
IP(EA), eV:	-9.15(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S)-1-(3-bromophenyl)ethyl]-1-[(4-ethylphenyl)methyl]-1-methylurea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)SCC2=NC3=C(C(=C(S3)C(=O)NC4=NC=NN4)C)C(=O)N2

DOS

IR

Vibrations