Geometry & MOs

Info

ID:	148685
PubChem CID:	53788353
Reduced:	ClN6O7C60H63 (1)
Stoich.:	AB6C7D60E63 (1)
Weight, g/mol:	291.115381
ΔH_f, kcal/mol:	-49.37
Dipole, Da:	20.72
IP(EA), eV:	-7.19(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyphenyl)-4-(1-methyltetrazol-5-yl)butanethioamide

Drug info:

Smile

CCC(C1=C(C=CC(=C1)C)OC2C(=NN(C2=O)C3=CC=CC=C3NC(=O)C(CC)OC4=C(C=C(C=C4)C(C)(C)CC)C(C)(C)CC)C5=CC=C(C=C5)Cl)OC(=O)N6C7=C(C=CC(=C7)C(=O)CC8=CC=CC=C8)N=N6

DOS

IR

Vibrations