Geometry & MOs

Info

ID:	137531
PubChem CID:	52221178
Reduced:	O2N3C19H23 (1)
Stoich.:	A2B3C19D23 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	1.08
IP(EA), eV:	-9.2(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(5-methylthiophen-2-yl)methyl]-1-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CN(C)C(=O)NCCNC(=O)C2=CC=CC=C2

DOS

IR

Vibrations