Geometry & MOs

Info

ID:	322169
PubChem CID:	126669044
Reduced:	PN2O2C5H13 (1)
Stoich.:	AB2C2D5E13 (1)
Weight, g/mol:	626.228695
ΔH_f, kcal/mol:	-148.64
Dipole, Da:	5.85
IP(EA), eV:	-9.29(1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-(5-methyl-2-propylphenyl)-N'-[[2-methyl-4-[[1-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]methoxy]phenyl]carbamoyl]carbamimidothioate

Drug info:

PubChemData

Smile

CNP1(=O)N(CCCO1)C

DOS

IR

Vibrations