Geometry & MOs

Info

ID:	448123
PubChem CID:	135288638
Reduced:	S2N9O11C62H85 (1)
Stoich.:	A2B9C11D62E85 (1)
Weight, g/mol:	339.119461
ΔH_f, kcal/mol:	-437.93
Dipole, Da:	5.4
IP(EA), eV:	-8.29(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(trifluoromethyl)cyclohexanecarbonyl]benzimidazole-5-carboxamide

Drug info:

Smile

CCN(C1=CC=CC(=C1)C)C(=O)CN2C3=C(C=C2C(=O)NC4CCC(CC4)C(=O)NCCCCCC(=O)NCCOCCOCCOCCC(=O)NC(C(=O)N5C[C@H]([C@@H](C5)O)C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)C(C)(C)C)SC=C3

DOS

IR

Vibrations