Geometry & MOs

Info

ID:	244345
PubChem CID:	99344191
Reduced:	N3O4C23H25 (1)
Stoich.:	A3B4C23D25 (1)
Weight, g/mol:	400.102768
ΔH_f, kcal/mol:	-155.92
Dipole, Da:	3.49
IP(EA), eV:	-8.72(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4R)-6,8-dimethyl-3,4-dihydro-2H-chromen-4-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@H](CCO2)NC(=O)C3=CC4=C(C=C3)C(=O)N(C(=O)N4)C(C)C)C

DOS

IR

Vibrations