Geometry & MOs

Info

ID:	145269
PubChem CID:	53490492
Reduced:	FO2N3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	376.193297
ΔH_f, kcal/mol:	-81.44
Dipole, Da:	1.52
IP(EA), eV:	-9.07(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-butyl-2-N-ethyl-5-(4-propan-2-ylphenyl)sulfonylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C(=NC2(C)C)C3=CC=C(C=C3)F

DOS

IR

Vibrations