Geometry & MOs

Info

ID:

326755

PubChem CID:

126688137

Reduced:

O3F4N6C36H38 (1)

Stoich.:

A3B4C6D36E38 (1)

Weight, g/mol:

638.208708

ΔHf, kcal/mol:

-203.16

Dipole, Da:

6.18

IP(EA), eV:

 -9.29(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-ethyl (NZ)-N-[amino-[3-[5-[[5-[(cyclopropylmethylamino)-phenylmethyl]-2-fluorophenyl]carbamoyl]-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylidene]carbamothioate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)/N=C(/C1=CC(=CC=C1)N2C(=CC(=N2)C(F)(F)F)C(=O)NC3=C(C=CC(=C3)C(C4=CC=CC=C4)NCC5CC5)F)\N

DOS

IR

Vibrations