Geometry & MOs

Info

ID:	351103
PubChem CID:	127279661
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	394.146347
ΔH_f, kcal/mol:	-78.84
Dipole, Da:	5.32
IP(EA), eV:	-9.22(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyran-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations