Geometry & MOs

Info

ID:	133450
PubChem CID:	51529324
Reduced:	N3O5C31H33 (1)
Stoich.:	A3B5C31D33 (1)
Weight, g/mol:	457.094654
ΔH_f, kcal/mol:	-123.45
Dipole, Da:	8.72
IP(EA), eV:	-8.42(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-N'-[N'-(4,6-dimethylpyrimidin-2-yl)-N-(4-methoxyphenyl)carbamimidoyl]carbamimidate

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NC(=O)C2=C(NC3=C([C@H]2C4=CC=C(O4)COC5=CC=C(C=C5)OC)C(=O)CC(C3)(C)C)C

DOS

IR

Vibrations